N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

C17H22N6O2 — CID 95848262

IUPACN,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc([C@@]2(C)CCCN2C(=O)Cn2cccn2)n1
InChIInChI=1S/C17H22N6O2/c1-12-10-13(15(25)18-3)21-16(20-12)17(2)6-4-9-23(17)14(24)11-22-8-5-7-19-22/h5,7-8,10H,4,6,9,11H2,1-3H3,(H,18,25)/t17-/m1/s1
InChIKeyZLZYWGBPIOYHTD-QGZVFWFLSA-N
MW342.40 g/mol
LogP0.88
Rot. Bonds4

About N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (PubChem CID 95848262) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
PubChem CID95848262
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc([C@@]2(C)CCCN2C(=O)Cn2cccn2)n1
InChIInChI=1S/C17H22N6O2/c1-12-10-13(15(25)18-3)21-16(20-12)17(2)6-4-9-23(17)14(24)11-22-8-5-7-19-22/h5,7-8,10H,4,6,9,11H2,1-3H3,(H,18,25)/t17-/m1/s1
InChIKeyZLZYWGBPIOYHTD-QGZVFWFLSA-N
XLogP0.88
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (CID 95848262) is N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2C(=O)Cn2cccn2)n1.
What is the InChIKey of N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is ZLZYWGBPIOYHTD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-10-13(15(25)18-3)21-16(20-12)17(2)6-4-9-23(17)14(24)11-22-8-5-7-19-22/h5,7-8,10H,4,6,9,11H2,1-3H3,(H,18,25)/t17-/m1/s1.
What are the key properties of N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 95848262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).